2-methylidenehexanenitrile;prop-2-enenitrile

C10H14N2 — CID 159125539

IUPAC2-methylidenehexanenitrile;prop-2-enenitrile
SMILESC=C(C#N)CCCC.C=CC#N
InChIInChI=1S/C7H11N.C3H3N/c1-3-4-5-7(2)6-8;1-2-3-4/h2-5H2,1H3;2H,1H2
InChIKeyKGFMNABBDVVXHR-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.95
Rot. Bonds3

About 2-methylidenehexanenitrile;prop-2-enenitrile

2-methylidenehexanenitrile;prop-2-enenitrile (PubChem CID 159125539) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methylidenehexanenitrile;prop-2-enenitrile.

Molecular Properties

Compound Name2-methylidenehexanenitrile;prop-2-enenitrile
PubChem CID159125539
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methylidenehexanenitrile;prop-2-enenitrile
SMILESC=C(C#N)CCCC.C=CC#N
InChIInChI=1S/C7H11N.C3H3N/c1-3-4-5-7(2)6-8;1-2-3-4/h2-5H2,1H3;2H,1H2
InChIKeyKGFMNABBDVVXHR-UHFFFAOYSA-N
XLogP2.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-methylidenehexadecanenitrile
CID 15496090
2-methylidenebutanoic acid;2-methylidenehexanoic acid;prop-2-enenitrile
CID 87469422
2-methylbuta-1,3-diene;2-methylidenehexanoic acid;prop-2-enenitrile
CID 88505105
octadecanoic acid;prop-2-enenitrile
CID 88776402
2-prop-2-enylidenehexanenitrile
CID 88965787
3-(2-cyanoethenyl)hept-2-enoic acid;prop-2-enenitrile
CID 87500305
methanol;prop-2-enenitrile
CID 19700097
butyl 2-methylprop-2-enoate;2-methylprop-1-ene;prop-2-enenitrile
CID 174821612
acetic acid;butanoic acid;prop-2-enenitrile
CID 87328549
2-methylidenehexanoic acid;prop-2-enenitrile;prop-2-enoic acid;styrene
CID 68639741
propane-1,3-diol;prop-2-enenitrile
CID 174190205
ethene;2-methylidenebutanenitrile
CID 139503600

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehexanenitrile;prop-2-enenitrile?
The IUPAC name of 2-methylidenehexanenitrile;prop-2-enenitrile (CID 159125539) is 2-methylidenehexanenitrile;prop-2-enenitrile.
What is the SMILES notation for 2-methylidenehexanenitrile;prop-2-enenitrile?
The canonical SMILES for 2-methylidenehexanenitrile;prop-2-enenitrile is C=C(C#N)CCCC.C=CC#N.
What is the InChIKey of 2-methylidenehexanenitrile;prop-2-enenitrile?
The InChIKey is KGFMNABBDVVXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C3H3N/c1-3-4-5-7(2)6-8;1-2-3-4/h2-5H2,1H3;2H,1H2.
What are the key properties of 2-methylidenehexanenitrile;prop-2-enenitrile?
2-methylidenehexanenitrile;prop-2-enenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehexanenitrile;prop-2-enenitrile is sourced from PubChem (CID 159125539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).